SCHEMBL26239181

SCHEMBL26239181

CCC(C)c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
PNMT P11086 1/20 0.46
AOC3 Q16853 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PGR P06401 1/20 0.42
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
OPRL1 P41146 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25819608 1.00 HDAC4 (0.53) HDAC4HDAC2HDAC8PNMTAOC3
SCHEMBL199109 1.00 HDAC4 (0.53) HDAC4HDAC2HDAC8PNMTAOC3
SCHEMBL16629816 0.89 HDAC4 (0.47) HDAC4HDAC2HDAC8PNMTALDH1A1
SCHEMBL1006801 0.84 HDAC4 (0.62) HDAC4HDAC2HDAC8ALDH1A1HPGD
SCHEMBL18923583 0.84 OPRM1 (0.44) HDAC4HDAC2HDAC8PNMTAOC3
SCHEMBL13158651 0.83 ALDH1A1 (0.46) PNMTAOC3ALDH1A1HPGDPGR
SCHEMBL15842196 0.83 ALDH1A1 (0.46) PNMTAOC3ALDH1A1HPGDPGR
SCHEMBL15866411 0.83 ALDH1A1 (0.46) PNMTAOC3ALDH1A1HPGDPGR
SCHEMBL16204375 0.82 TAAR1 (0.57) PNMTAOC3ALDH1A1HPGDPGR
SCHEMBL17691229 0.82 PNMT (0.44) PNMTAOC3ALDH1A1HPGDPGR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2024-01-02 US disclosed
US-20230339891-A1 URACIL DERIVATIVES AS MER-AXL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-10-26 US disclosed
US-11759458-B2 Indane-amines as PD-L1 antagonists CHEMOCENTRYX, INC. (US) 2023-09-19 US disclosed
US-11744826-B2 Compounds and methods of treating retinal degeneration CASE WESTERN RESERVE UNIVERSITY (US) 2023-09-05 US disclosed
WO-2023164233-A1 (4-BENZO[D]OXAZOL-2-YL)-6,7-DIHYDRO-1H-IMIDAZO[4,5-C]PYRIDINE-5(4H)-YL)METHANONE DERIVATIVES AS MUTANT PAH STABILIZERS FOR THE TREATMENT OF PHENYLKETONURIA AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 US disclosed
EP-1939204-B3 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2022-08-24 EP disclosed
US-20150184032-A1 TEMPORARY ADHESIVE FOR PRODUCTION OF SEMICONDUCTOR DEVICE, AND ADHESIVE SUPPORT AND PRODUCTION METHOD OF SEMICONDUCTOR DEVICE USING THE SAME FUJIFILM CORPORATION (JP) 2015-07-02 US disclosed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
EP-2183228-B1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
US-8309587-B2 Piperidine and piperazine phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
WO-2012150234-A1 DIHYDROQUINOLINE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-11-08 WO disclosed
US-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 US disclosed
CN-101945839-A Process for producing conjugated aromatic compound SUMITOMO CHEMICAL CO 2011-01-12 CN disclosed
CN-101827854-A Transition metal complex and method for producing conjugated aromatic compound using same SUMITOMO CHEMICAL CO 2010-09-08 CN disclosed
CN-101772508-A Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL CO 2010-07-07 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, TRPA1, TRPV5 HDAC4 915/4885HDAC2 726/4885HDAC8 1131/4885
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors MERTK, DAPK1, AXL HDAC4 3365/4885HDAC2 3275/4885HDAC8 2511/4885
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof BRAF, RAF1, NRAS HDAC4 1544/4885HDAC2 1361/4885HDAC8 670/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK HDAC4 1635/4885HDAC2 1146/4885HDAC8 625/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS HDAC4 2518/4885HDAC2 1368/4885HDAC8 1644/4885
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 HDAC4 1445/4885HDAC2 1884/4885HDAC8 2383/4885
US-20230339891-A1 URACIL DERIVATIVES AS MER-AXL INHIBITORS MERTK, DAPK1, AXL HDAC4 3365/4885HDAC2 3275/4885HDAC8 2511/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK HDAC4 1635/4885HDAC2 1146/4885HDAC8 625/4885
US-11744826-B2 Compounds and methods of treating retinal degeneration ALDH1A2, PDE6D, PDE6C HDAC4 822/4885HDAC2 998/4885HDAC8 1480/4885
US-11759458-B2 Indane-amines as PD-L1 antagonists CD274, PDCD1LG2, PDCD1 HDAC4 3234/4885HDAC2 402/4885HDAC8 1168/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.